4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methoxy-3-(4-methylphenyl)sulfonyl-quinoline

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methoxy-3-(4-methylphenyl)sulfonyl-quinoline Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methoxy-3-(p-tolylsulfonyl)quinoline CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-6-methoxy-3-(4-methylphenyl)sulfonylquinoline IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methoxy-3-(4-methylphenyl)sulfonylquinoline Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-6-methoxy-3-tosyl-quinoline Formula: C27H26ClN3O3S MolecularWeight: 508.03164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C3C=CC(=CC3=C2N4CCN(CC4)C5=CC(=CC=C5)Cl)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C3C=CC(=CC3=C2N4CCN(CC4)C5=CC(=CC=C5)Cl)OC

InChI

InChI=1S/C27H26ClN3O3S/c1-19-6-9-23(10-7-19)35(32,33)26-18-29-25-11-8-22(34-2)17-24(25)27(26)31-14-12-30(13-15-31)21-5-3-4-20(28)16-21/h3-11,16-18H,12-15H2,1-2H3